USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 622 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 SER OG : rot 180:sc= -0.449 USER MOD Set 1.2: A 59 LYS NZ :NH3+ -140:sc= 0.463 (180deg=0.00608) USER MOD Set 2.1: A 46 THR OG1 : rot -76:sc= 0.197 USER MOD Set 2.2: A 51 THR OG1 : rot 180:sc= -0.423 USER MOD Set 3.1: A 15 HIS : no HD1:sc= -0.716 X(o=-0.72,f=-0.87) USER MOD Set 3.2: A 19 MET CE :methyl -129:sc= 0 (180deg=-0.0599) USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.00682 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -58:sc= 0.595 USER MOD Single : A 8 LYS NZ :NH3+ -162:sc= -0.0335 (180deg=-0.263) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.463 USER MOD Single : A 12 GLN : amide:sc= -0.786 X(o=-0.79,f=-0.79) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.13 USER MOD Single : A 20 LYS NZ :NH3+ 153:sc= -0.525 (180deg=-0.573) USER MOD Single : A 21 THR OG1 : rot -12:sc= 0.394 USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0336) USER MOD Single : A 23 ASN : amide:sc= -3.25! C(o=-3.3!,f=-3.5!) USER MOD Single : A 27 TYR OH : rot 100:sc= -1.34 USER MOD Single : A 29 CYS SG : rot 36:sc= -4.87! USER MOD Single : A 32 SER OG : rot -92:sc= 0.0982 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS : no HD1:sc= -6.09! C(o=-6.1!,f=-6.5!) USER MOD Single : A 40 THR OG1 : rot 22:sc= 0.648 USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 52 CYS SG : rot -0:sc= -0.624 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -117:sc= -1.75! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -156:sc= 0.553 (180deg=0.275) USER MOD Single : A 64 HIS : no HD1:sc= -7.92! C(o=-7.9!,f=-8.2!) USER MOD Single : A 72 ASN : amide:sc= -0.0977 K(o=-0.098,f=-0.72) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.26 F(o=-1.8,f=-1.3) USER MOD Single : A 79 SER OG : rot 59:sc= -3.82! USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 19:sc= 0.53 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.024 7.038 8.663 1.00 0.00 N ATOM 2 CA GLY A 1 -26.122 5.808 7.899 1.00 0.00 C ATOM 3 C GLY A 1 -24.822 5.029 7.886 1.00 0.00 C ATOM 4 O GLY A 1 -23.744 5.610 7.763 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.539 7.795 8.170 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.438 6.895 9.606 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.024 7.307 8.761 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.911 5.185 8.319 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.412 6.042 6.875 1.00 0.00 H new ATOM 8 N SER A 2 -24.923 3.710 8.014 1.00 0.00 N ATOM 9 CA SER A 2 -23.745 2.850 8.021 1.00 0.00 C ATOM 10 C SER A 2 -22.767 3.260 6.924 1.00 0.00 C ATOM 11 O SER A 2 -23.162 3.817 5.901 1.00 0.00 O ATOM 12 CB SER A 2 -24.154 1.388 7.835 1.00 0.00 C ATOM 13 OG SER A 2 -24.769 0.877 9.005 1.00 0.00 O ATOM 0 H SER A 2 -25.808 3.213 8.114 1.00 0.00 H new ATOM 0 HA SER A 2 -23.250 2.961 8.986 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.841 1.304 6.993 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.276 0.790 7.591 1.00 0.00 H new ATOM 0 HG SER A 2 -25.022 -0.058 8.859 1.00 0.00 H new ATOM 19 N SER A 3 -21.487 2.979 7.147 1.00 0.00 N ATOM 20 CA SER A 3 -20.450 3.322 6.181 1.00 0.00 C ATOM 21 C SER A 3 -20.857 2.896 4.774 1.00 0.00 C ATOM 22 O SER A 3 -21.567 1.908 4.592 1.00 0.00 O ATOM 23 CB SER A 3 -19.126 2.656 6.564 1.00 0.00 C ATOM 24 OG SER A 3 -18.131 2.899 5.585 1.00 0.00 O ATOM 0 H SER A 3 -21.143 2.515 7.988 1.00 0.00 H new ATOM 0 HA SER A 3 -20.321 4.404 6.192 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.791 3.035 7.530 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.275 1.582 6.677 1.00 0.00 H new ATOM 0 HG SER A 3 -17.295 2.465 5.854 1.00 0.00 H new ATOM 30 N GLY A 4 -20.401 3.652 3.779 1.00 0.00 N ATOM 31 CA GLY A 4 -20.728 3.338 2.400 1.00 0.00 C ATOM 32 C GLY A 4 -21.669 4.353 1.782 1.00 0.00 C ATOM 33 O GLY A 4 -21.229 5.351 1.210 1.00 0.00 O ATOM 0 H GLY A 4 -19.812 4.475 3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.810 3.293 1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.184 2.349 2.354 1.00 0.00 H new ATOM 37 N SER A 5 -22.969 4.098 1.895 1.00 0.00 N ATOM 38 CA SER A 5 -23.975 4.995 1.338 1.00 0.00 C ATOM 39 C SER A 5 -23.853 5.072 -0.181 1.00 0.00 C ATOM 40 O SER A 5 -23.926 6.152 -0.767 1.00 0.00 O ATOM 41 CB SER A 5 -23.834 6.393 1.944 1.00 0.00 C ATOM 42 OG SER A 5 -25.054 7.109 1.861 1.00 0.00 O ATOM 0 H SER A 5 -23.350 3.278 2.367 1.00 0.00 H new ATOM 0 HA SER A 5 -24.959 4.597 1.586 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.526 6.312 2.987 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.050 6.942 1.422 1.00 0.00 H new ATOM 0 HG SER A 5 -24.939 7.998 2.256 1.00 0.00 H new ATOM 48 N SER A 6 -23.666 3.917 -0.812 1.00 0.00 N ATOM 49 CA SER A 6 -23.530 3.852 -2.263 1.00 0.00 C ATOM 50 C SER A 6 -22.662 4.996 -2.778 1.00 0.00 C ATOM 51 O SER A 6 -23.044 5.712 -3.703 1.00 0.00 O ATOM 52 CB SER A 6 -24.907 3.901 -2.928 1.00 0.00 C ATOM 53 OG SER A 6 -24.796 3.797 -4.337 1.00 0.00 O ATOM 0 H SER A 6 -23.605 3.014 -0.342 1.00 0.00 H new ATOM 0 HA SER A 6 -23.046 2.909 -2.517 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.527 3.089 -2.548 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.408 4.834 -2.667 1.00 0.00 H new ATOM 0 HG SER A 6 -24.228 4.521 -4.675 1.00 0.00 H new ATOM 59 N GLY A 7 -21.491 5.162 -2.172 1.00 0.00 N ATOM 60 CA GLY A 7 -20.586 6.220 -2.582 1.00 0.00 C ATOM 61 C GLY A 7 -19.836 5.881 -3.854 1.00 0.00 C ATOM 62 O GLY A 7 -19.442 4.733 -4.065 1.00 0.00 O ATOM 0 H GLY A 7 -21.152 4.583 -1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.151 7.140 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.871 6.412 -1.782 1.00 0.00 H new ATOM 66 N LYS A 8 -19.638 6.880 -4.707 1.00 0.00 N ATOM 67 CA LYS A 8 -18.931 6.683 -5.967 1.00 0.00 C ATOM 68 C LYS A 8 -17.460 6.360 -5.720 1.00 0.00 C ATOM 69 O LYS A 8 -16.839 6.903 -4.806 1.00 0.00 O ATOM 70 CB LYS A 8 -19.049 7.932 -6.843 1.00 0.00 C ATOM 71 CG LYS A 8 -20.442 8.148 -7.409 1.00 0.00 C ATOM 72 CD LYS A 8 -20.633 7.406 -8.721 1.00 0.00 C ATOM 73 CE LYS A 8 -22.104 7.300 -9.093 1.00 0.00 C ATOM 74 NZ LYS A 8 -22.839 6.372 -8.189 1.00 0.00 N ATOM 0 H LYS A 8 -19.958 7.836 -4.548 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.389 5.840 -6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -18.765 8.805 -6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.339 7.857 -7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.185 7.810 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.611 9.213 -7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.092 7.922 -9.514 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.204 6.407 -8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.562 8.288 -9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -22.194 6.952 -10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -23.734 6.088 -8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -22.258 5.528 -8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -23.039 6.851 -7.288 1.00 0.00 H new ATOM 88 N THR A 9 -16.908 5.474 -6.542 1.00 0.00 N ATOM 89 CA THR A 9 -15.511 5.079 -6.413 1.00 0.00 C ATOM 90 C THR A 9 -14.581 6.176 -6.918 1.00 0.00 C ATOM 91 O THR A 9 -14.945 6.992 -7.765 1.00 0.00 O ATOM 92 CB THR A 9 -15.220 3.780 -7.188 1.00 0.00 C ATOM 93 OG1 THR A 9 -14.807 4.088 -8.524 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.450 2.885 -7.226 1.00 0.00 C ATOM 0 H THR A 9 -17.407 5.016 -7.305 1.00 0.00 H new ATOM 0 HA THR A 9 -15.328 4.910 -5.352 1.00 0.00 H new ATOM 0 HB THR A 9 -14.419 3.249 -6.674 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.622 3.257 -9.009 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.220 1.974 -7.779 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.744 2.628 -6.209 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.268 3.411 -7.718 1.00 0.00 H new ATOM 102 N PRO A 10 -13.349 6.200 -6.386 1.00 0.00 N ATOM 103 CA PRO A 10 -12.341 7.193 -6.769 1.00 0.00 C ATOM 104 C PRO A 10 -11.830 6.982 -8.190 1.00 0.00 C ATOM 105 O PRO A 10 -11.057 7.789 -8.708 1.00 0.00 O ATOM 106 CB PRO A 10 -11.216 6.964 -5.757 1.00 0.00 C ATOM 107 CG PRO A 10 -11.371 5.544 -5.333 1.00 0.00 C ATOM 108 CD PRO A 10 -12.846 5.259 -5.371 1.00 0.00 C ATOM 0 HA PRO A 10 -12.743 8.206 -6.759 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.238 7.139 -6.206 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.303 7.642 -4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.827 4.876 -6.001 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.969 5.390 -4.331 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.048 4.224 -5.647 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.313 5.427 -4.401 1.00 0.00 H new ATOM 116 N ILE A 11 -12.266 5.893 -8.815 1.00 0.00 N ATOM 117 CA ILE A 11 -11.853 5.578 -10.177 1.00 0.00 C ATOM 118 C ILE A 11 -12.899 6.034 -11.188 1.00 0.00 C ATOM 119 O ILE A 11 -12.564 6.457 -12.294 1.00 0.00 O ATOM 120 CB ILE A 11 -11.608 4.068 -10.356 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.543 3.582 -9.370 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.190 3.765 -11.787 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.194 4.238 -9.565 1.00 0.00 C ATOM 0 H ILE A 11 -12.905 5.215 -8.400 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.920 6.113 -10.355 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.537 3.537 -10.150 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.887 3.772 -8.353 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.431 2.503 -9.472 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -11.021 2.694 -11.898 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.978 4.080 -12.471 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.271 4.304 -12.019 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.489 3.846 -8.832 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.828 4.026 -10.570 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.291 5.316 -9.434 1.00 0.00 H new ATOM 135 N GLN A 12 -14.167 5.947 -10.800 1.00 0.00 N ATOM 136 CA GLN A 12 -15.262 6.353 -11.672 1.00 0.00 C ATOM 137 C GLN A 12 -15.418 7.870 -11.681 1.00 0.00 C ATOM 138 O GLN A 12 -15.575 8.482 -12.737 1.00 0.00 O ATOM 139 CB GLN A 12 -16.570 5.697 -11.224 1.00 0.00 C ATOM 140 CG GLN A 12 -16.733 4.268 -11.716 1.00 0.00 C ATOM 141 CD GLN A 12 -16.258 4.084 -13.144 1.00 0.00 C ATOM 142 OE1 GLN A 12 -16.913 4.524 -14.089 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.114 3.431 -13.308 1.00 0.00 N ATOM 0 H GLN A 12 -14.461 5.599 -9.887 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.027 6.024 -12.684 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.617 5.705 -10.135 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.408 6.294 -11.583 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.175 3.597 -11.062 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.782 3.981 -11.647 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.604 3.084 -12.496 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.745 3.277 -14.246 1.00 0.00 H new ATOM 152 N VAL A 13 -15.374 8.472 -10.496 1.00 0.00 N ATOM 153 CA VAL A 13 -15.509 9.918 -10.368 1.00 0.00 C ATOM 154 C VAL A 13 -14.414 10.643 -11.140 1.00 0.00 C ATOM 155 O VAL A 13 -14.690 11.368 -12.098 1.00 0.00 O ATOM 156 CB VAL A 13 -15.459 10.357 -8.892 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.622 11.865 -8.778 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.526 9.634 -8.085 1.00 0.00 C ATOM 0 H VAL A 13 -15.246 7.980 -9.611 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.480 10.184 -10.786 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.484 10.089 -8.484 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.584 12.157 -7.728 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.817 12.360 -9.321 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.582 12.160 -9.202 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.476 9.956 -7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.510 9.868 -8.491 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.358 8.559 -8.140 1.00 0.00 H new ATOM 168 N LEU A 14 -13.170 10.444 -10.720 1.00 0.00 N ATOM 169 CA LEU A 14 -12.030 11.079 -11.373 1.00 0.00 C ATOM 170 C LEU A 14 -12.176 11.030 -12.891 1.00 0.00 C ATOM 171 O LEU A 14 -12.347 12.061 -13.542 1.00 0.00 O ATOM 172 CB LEU A 14 -10.729 10.394 -10.952 1.00 0.00 C ATOM 173 CG LEU A 14 -9.485 11.283 -10.911 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.223 10.434 -10.889 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.470 12.233 -12.099 1.00 0.00 C ATOM 0 H LEU A 14 -12.924 9.848 -9.930 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.000 12.123 -11.062 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.874 9.960 -9.963 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.538 9.568 -11.637 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.515 11.876 -9.997 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.348 11.083 -10.860 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.230 9.795 -10.006 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.185 9.815 -11.785 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.578 12.858 -12.054 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.464 11.658 -13.025 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.358 12.865 -12.071 1.00 0.00 H new ATOM 187 N HIS A 15 -12.108 9.825 -13.448 1.00 0.00 N ATOM 188 CA HIS A 15 -12.235 9.641 -14.889 1.00 0.00 C ATOM 189 C HIS A 15 -13.458 10.379 -15.425 1.00 0.00 C ATOM 190 O HIS A 15 -13.331 11.394 -16.109 1.00 0.00 O ATOM 191 CB HIS A 15 -12.333 8.154 -15.228 1.00 0.00 C ATOM 192 CG HIS A 15 -12.412 7.878 -16.698 1.00 0.00 C ATOM 193 ND1 HIS A 15 -11.334 8.011 -17.548 1.00 0.00 N ATOM 194 CD2 HIS A 15 -13.449 7.474 -17.469 1.00 0.00 C ATOM 195 CE1 HIS A 15 -11.705 7.702 -18.778 1.00 0.00 C ATOM 196 NE2 HIS A 15 -12.984 7.371 -18.757 1.00 0.00 N ATOM 0 H HIS A 15 -11.966 8.962 -12.923 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.345 10.056 -15.363 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.466 7.638 -14.816 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.214 7.736 -14.740 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.455 7.271 -17.133 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -11.071 7.717 -19.652 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.536 7.085 -19.566 1.00 0.00 H new ATOM 204 N GLU A 16 -14.641 9.861 -15.110 1.00 0.00 N ATOM 205 CA GLU A 16 -15.886 10.471 -15.562 1.00 0.00 C ATOM 206 C GLU A 16 -15.786 11.994 -15.539 1.00 0.00 C ATOM 207 O GLU A 16 -16.267 12.672 -16.447 1.00 0.00 O ATOM 208 CB GLU A 16 -17.053 10.012 -14.685 1.00 0.00 C ATOM 209 CG GLU A 16 -17.490 8.582 -14.952 1.00 0.00 C ATOM 210 CD GLU A 16 -18.879 8.288 -14.421 1.00 0.00 C ATOM 211 OE1 GLU A 16 -19.017 8.088 -13.196 1.00 0.00 O ATOM 212 OE2 GLU A 16 -19.829 8.257 -15.232 1.00 0.00 O ATOM 0 H GLU A 16 -14.763 9.021 -14.544 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.065 10.152 -16.589 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.768 10.106 -13.637 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.901 10.678 -14.846 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.468 8.394 -16.025 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.777 7.897 -14.494 1.00 0.00 H new ATOM 219 N TYR A 17 -15.158 12.523 -14.495 1.00 0.00 N ATOM 220 CA TYR A 17 -14.997 13.965 -14.351 1.00 0.00 C ATOM 221 C TYR A 17 -14.085 14.523 -15.439 1.00 0.00 C ATOM 222 O TYR A 17 -14.484 15.389 -16.216 1.00 0.00 O ATOM 223 CB TYR A 17 -14.428 14.301 -12.972 1.00 0.00 C ATOM 224 CG TYR A 17 -13.637 15.589 -12.940 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.278 16.821 -12.922 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.248 15.573 -12.927 1.00 0.00 C ATOM 227 CE1 TYR A 17 -13.559 18.000 -12.894 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.520 16.747 -12.897 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.181 17.958 -12.881 1.00 0.00 C ATOM 230 OH TYR A 17 -11.461 19.131 -12.851 1.00 0.00 O ATOM 0 H TYR A 17 -14.752 11.975 -13.736 1.00 0.00 H new ATOM 0 HA TYR A 17 -15.979 14.426 -14.454 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.248 14.370 -12.257 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.787 13.483 -12.644 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.357 16.858 -12.930 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.728 14.626 -12.941 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.073 18.950 -12.882 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.440 16.717 -12.886 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.503 18.926 -12.844 1.00 0.00 H new ATOM 240 N GLY A 18 -12.856 14.018 -15.488 1.00 0.00 N ATOM 241 CA GLY A 18 -11.905 14.475 -16.484 1.00 0.00 C ATOM 242 C GLY A 18 -12.566 14.813 -17.806 1.00 0.00 C ATOM 243 O GLY A 18 -12.126 15.718 -18.514 1.00 0.00 O ATOM 0 H GLY A 18 -12.502 13.300 -14.855 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.383 15.355 -16.107 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.153 13.703 -16.645 1.00 0.00 H new ATOM 247 N MET A 19 -13.625 14.083 -18.139 1.00 0.00 N ATOM 248 CA MET A 19 -14.348 14.310 -19.385 1.00 0.00 C ATOM 249 C MET A 19 -14.812 15.760 -19.488 1.00 0.00 C ATOM 250 O MET A 19 -14.536 16.442 -20.475 1.00 0.00 O ATOM 251 CB MET A 19 -15.551 13.370 -19.480 1.00 0.00 C ATOM 252 CG MET A 19 -15.168 11.908 -19.646 1.00 0.00 C ATOM 253 SD MET A 19 -16.603 10.821 -19.746 1.00 0.00 S ATOM 254 CE MET A 19 -15.837 9.224 -19.482 1.00 0.00 C ATOM 0 H MET A 19 -14.002 13.329 -17.564 1.00 0.00 H new ATOM 0 HA MET A 19 -13.669 14.104 -20.212 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.158 13.478 -18.581 1.00 0.00 H new ATOM 0 HB3 MET A 19 -16.172 13.672 -20.323 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.567 11.794 -20.548 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.543 11.602 -18.807 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.146 8.537 -20.270 1.00 0.00 H new ATOM 0 HE2 MET A 19 -14.753 9.333 -19.500 1.00 0.00 H new ATOM 0 HE3 MET A 19 -16.145 8.828 -18.514 1.00 0.00 H new ATOM 264 N LYS A 20 -15.518 16.225 -18.463 1.00 0.00 N ATOM 265 CA LYS A 20 -16.019 17.594 -18.437 1.00 0.00 C ATOM 266 C LYS A 20 -14.918 18.584 -18.803 1.00 0.00 C ATOM 267 O LYS A 20 -15.119 19.475 -19.629 1.00 0.00 O ATOM 268 CB LYS A 20 -16.580 17.927 -17.052 1.00 0.00 C ATOM 269 CG LYS A 20 -18.057 17.608 -16.901 1.00 0.00 C ATOM 270 CD LYS A 20 -18.272 16.192 -16.394 1.00 0.00 C ATOM 271 CE LYS A 20 -17.957 16.077 -14.910 1.00 0.00 C ATOM 272 NZ LYS A 20 -18.412 14.777 -14.345 1.00 0.00 N ATOM 0 H LYS A 20 -15.756 15.673 -17.639 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.817 17.677 -19.175 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.019 17.374 -16.299 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.423 18.987 -16.851 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.514 18.316 -16.210 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.557 17.731 -17.862 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.305 15.894 -16.572 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.640 15.504 -16.955 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.883 16.183 -14.758 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.437 16.895 -14.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.821 14.529 -13.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.404 14.857 -14.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.329 14.035 -15.069 1.00 0.00 H new ATOM 286 N THR A 21 -13.752 18.421 -18.185 1.00 0.00 N ATOM 287 CA THR A 21 -12.619 19.300 -18.446 1.00 0.00 C ATOM 288 C THR A 21 -11.828 18.830 -19.660 1.00 0.00 C ATOM 289 O THR A 21 -10.618 19.043 -19.747 1.00 0.00 O ATOM 290 CB THR A 21 -11.676 19.376 -17.230 1.00 0.00 C ATOM 291 OG1 THR A 21 -11.112 18.086 -16.966 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.419 19.871 -15.999 1.00 0.00 C ATOM 0 H THR A 21 -13.568 17.688 -17.500 1.00 0.00 H new ATOM 0 HA THR A 21 -13.026 20.292 -18.643 1.00 0.00 H new ATOM 0 HB THR A 21 -10.878 20.081 -17.461 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.594 17.406 -17.482 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.733 19.916 -15.153 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.822 20.865 -16.193 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.235 19.187 -15.767 1.00 0.00 H new ATOM 300 N LYS A 22 -12.517 18.189 -20.598 1.00 0.00 N ATOM 301 CA LYS A 22 -11.879 17.690 -21.811 1.00 0.00 C ATOM 302 C LYS A 22 -10.495 17.126 -21.505 1.00 0.00 C ATOM 303 O LYS A 22 -9.617 17.111 -22.366 1.00 0.00 O ATOM 304 CB LYS A 22 -11.768 18.808 -22.850 1.00 0.00 C ATOM 305 CG LYS A 22 -13.099 19.450 -23.198 1.00 0.00 C ATOM 306 CD LYS A 22 -14.002 18.488 -23.952 1.00 0.00 C ATOM 307 CE LYS A 22 -15.028 19.230 -24.794 1.00 0.00 C ATOM 308 NZ LYS A 22 -14.423 19.804 -26.028 1.00 0.00 N ATOM 0 H LYS A 22 -13.518 18.003 -20.542 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.498 16.888 -22.214 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.091 19.576 -22.474 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.320 18.405 -23.758 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.596 19.777 -22.285 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.927 20.340 -23.804 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.397 17.848 -24.594 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.514 17.837 -23.243 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.834 18.549 -25.068 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.473 20.030 -24.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.176 20.168 -26.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.781 20.581 -25.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.889 19.065 -26.529 1.00 0.00 H new ATOM 322 N ASN A 23 -10.309 16.662 -20.273 1.00 0.00 N ATOM 323 CA ASN A 23 -9.032 16.096 -19.855 1.00 0.00 C ATOM 324 C ASN A 23 -9.239 14.784 -19.103 1.00 0.00 C ATOM 325 O ASN A 23 -9.773 14.770 -17.994 1.00 0.00 O ATOM 326 CB ASN A 23 -8.275 17.089 -18.971 1.00 0.00 C ATOM 327 CG ASN A 23 -8.088 18.435 -19.644 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.829 18.511 -20.845 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.217 19.507 -18.870 1.00 0.00 N ATOM 0 H ASN A 23 -11.026 16.667 -19.548 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.443 15.893 -20.749 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.818 17.226 -18.036 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.300 16.674 -18.716 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.101 20.439 -19.267 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.432 19.398 -17.879 1.00 0.00 H new ATOM 336 N ILE A 24 -8.811 13.685 -19.715 1.00 0.00 N ATOM 337 CA ILE A 24 -8.948 12.369 -19.103 1.00 0.00 C ATOM 338 C ILE A 24 -7.699 11.999 -18.310 1.00 0.00 C ATOM 339 O ILE A 24 -6.568 12.210 -18.750 1.00 0.00 O ATOM 340 CB ILE A 24 -9.211 11.281 -20.160 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.390 11.679 -21.051 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.477 9.942 -19.488 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.655 11.981 -20.278 1.00 0.00 C ATOM 0 H ILE A 24 -8.367 13.680 -20.633 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.802 12.423 -18.428 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.324 11.182 -20.786 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.113 12.556 -21.636 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.589 10.874 -21.758 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.661 9.183 -20.249 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.610 9.656 -18.892 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.350 10.027 -18.841 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.449 12.256 -20.972 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.956 11.098 -19.714 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.473 12.807 -19.590 1.00 0.00 H new ATOM 355 N PRO A 25 -7.905 11.432 -17.112 1.00 0.00 N ATOM 356 CA PRO A 25 -6.807 11.018 -16.233 1.00 0.00 C ATOM 357 C PRO A 25 -6.047 9.815 -16.781 1.00 0.00 C ATOM 358 O PRO A 25 -6.605 8.726 -16.919 1.00 0.00 O ATOM 359 CB PRO A 25 -7.517 10.653 -14.927 1.00 0.00 C ATOM 360 CG PRO A 25 -8.901 10.284 -15.338 1.00 0.00 C ATOM 361 CD PRO A 25 -9.225 11.151 -16.524 1.00 0.00 C ATOM 0 HA PRO A 25 -6.057 11.801 -16.122 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.019 9.824 -14.424 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.521 11.492 -14.231 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.962 9.227 -15.598 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.608 10.454 -14.526 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.878 10.638 -17.230 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.735 12.067 -16.225 1.00 0.00 H new ATOM 369 N VAL A 26 -4.771 10.018 -17.091 1.00 0.00 N ATOM 370 CA VAL A 26 -3.934 8.949 -17.623 1.00 0.00 C ATOM 371 C VAL A 26 -3.412 8.053 -16.505 1.00 0.00 C ATOM 372 O VAL A 26 -3.158 8.514 -15.392 1.00 0.00 O ATOM 373 CB VAL A 26 -2.739 9.513 -18.415 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.215 10.509 -19.461 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.732 10.155 -17.473 1.00 0.00 C ATOM 0 H VAL A 26 -4.294 10.913 -16.983 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.560 8.361 -18.294 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.245 8.690 -18.931 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.357 10.897 -20.011 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.895 10.013 -20.153 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.734 11.332 -18.970 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.894 10.548 -18.049 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.211 10.968 -16.928 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.368 9.409 -16.766 1.00 0.00 H new ATOM 385 N TYR A 27 -3.253 6.770 -16.810 1.00 0.00 N ATOM 386 CA TYR A 27 -2.762 5.807 -15.830 1.00 0.00 C ATOM 387 C TYR A 27 -1.661 4.936 -16.427 1.00 0.00 C ATOM 388 O TYR A 27 -1.919 4.092 -17.284 1.00 0.00 O ATOM 389 CB TYR A 27 -3.909 4.927 -15.330 1.00 0.00 C ATOM 390 CG TYR A 27 -4.988 5.695 -14.601 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.900 6.480 -15.295 1.00 0.00 C ATOM 392 CD2 TYR A 27 -5.095 5.636 -13.217 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.887 7.184 -14.633 1.00 0.00 C ATOM 394 CE2 TYR A 27 -6.080 6.335 -12.546 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.973 7.108 -13.259 1.00 0.00 C ATOM 396 OH TYR A 27 -7.955 7.807 -12.595 1.00 0.00 O ATOM 0 H TYR A 27 -3.457 6.372 -17.727 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.346 6.362 -14.989 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.354 4.408 -16.179 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.506 4.163 -14.665 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.836 6.541 -16.371 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.396 5.033 -12.656 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.587 7.790 -15.188 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.150 6.277 -11.470 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.693 7.202 -12.373 1.00 0.00 H new ATOM 406 N GLU A 28 -0.432 5.148 -15.965 1.00 0.00 N ATOM 407 CA GLU A 28 0.709 4.383 -16.453 1.00 0.00 C ATOM 408 C GLU A 28 1.494 3.777 -15.293 1.00 0.00 C ATOM 409 O GLU A 28 1.731 4.434 -14.280 1.00 0.00 O ATOM 410 CB GLU A 28 1.627 5.273 -17.294 1.00 0.00 C ATOM 411 CG GLU A 28 2.717 4.507 -18.023 1.00 0.00 C ATOM 412 CD GLU A 28 2.169 3.368 -18.861 1.00 0.00 C ATOM 413 OE1 GLU A 28 1.092 3.545 -19.468 1.00 0.00 O ATOM 414 OE2 GLU A 28 2.817 2.302 -18.911 1.00 0.00 O ATOM 0 H GLU A 28 -0.202 5.842 -15.254 1.00 0.00 H new ATOM 0 HA GLU A 28 0.330 3.573 -17.076 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.025 5.814 -18.024 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.089 6.018 -16.647 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.270 5.192 -18.665 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.425 4.110 -17.296 1.00 0.00 H new ATOM 421 N CYS A 29 1.892 2.519 -15.450 1.00 0.00 N ATOM 422 CA CYS A 29 2.648 1.822 -14.416 1.00 0.00 C ATOM 423 C CYS A 29 4.144 1.877 -14.706 1.00 0.00 C ATOM 424 O CYS A 29 4.640 1.177 -15.589 1.00 0.00 O ATOM 425 CB CYS A 29 2.189 0.367 -14.312 1.00 0.00 C ATOM 426 SG CYS A 29 0.560 0.159 -13.556 1.00 0.00 S ATOM 0 H CYS A 29 1.704 1.961 -16.283 1.00 0.00 H new ATOM 0 HA CYS A 29 2.462 2.322 -13.466 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.173 -0.070 -15.311 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.922 -0.193 -13.731 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.211 1.145 -13.908 1.00 0.00 H new ATOM 432 N GLU A 30 4.857 2.714 -13.959 1.00 0.00 N ATOM 433 CA GLU A 30 6.297 2.861 -14.139 1.00 0.00 C ATOM 434 C GLU A 30 7.047 1.696 -13.500 1.00 0.00 C ATOM 435 O GLU A 30 7.615 0.853 -14.195 1.00 0.00 O ATOM 436 CB GLU A 30 6.776 4.183 -13.536 1.00 0.00 C ATOM 437 CG GLU A 30 6.059 5.401 -14.092 1.00 0.00 C ATOM 438 CD GLU A 30 6.146 6.601 -13.169 1.00 0.00 C ATOM 439 OE1 GLU A 30 7.250 7.168 -13.034 1.00 0.00 O ATOM 440 OE2 GLU A 30 5.108 6.973 -12.582 1.00 0.00 O ATOM 0 H GLU A 30 4.462 3.300 -13.224 1.00 0.00 H new ATOM 0 HA GLU A 30 6.506 2.861 -15.209 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.636 4.151 -12.455 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.846 4.288 -13.716 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.488 5.660 -15.060 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.011 5.154 -14.263 1.00 0.00 H new ATOM 447 N ARG A 31 7.044 1.656 -12.172 1.00 0.00 N ATOM 448 CA ARG A 31 7.726 0.596 -11.438 1.00 0.00 C ATOM 449 C ARG A 31 6.842 -0.643 -11.326 1.00 0.00 C ATOM 450 O ARG A 31 5.725 -0.576 -10.811 1.00 0.00 O ATOM 451 CB ARG A 31 8.118 1.084 -10.042 1.00 0.00 C ATOM 452 CG ARG A 31 9.099 2.245 -10.056 1.00 0.00 C ATOM 453 CD ARG A 31 9.982 2.244 -8.818 1.00 0.00 C ATOM 454 NE ARG A 31 10.745 1.005 -8.691 1.00 0.00 N ATOM 455 CZ ARG A 31 11.633 0.784 -7.729 1.00 0.00 C ATOM 456 NH1 ARG A 31 11.868 1.714 -6.813 1.00 0.00 N ATOM 457 NH2 ARG A 31 12.288 -0.369 -7.680 1.00 0.00 N ATOM 0 H ARG A 31 6.577 2.345 -11.582 1.00 0.00 H new ATOM 0 HA ARG A 31 8.628 0.329 -11.989 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.218 1.386 -9.506 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.557 0.255 -9.487 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.722 2.185 -10.948 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.551 3.185 -10.112 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.668 3.090 -8.862 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.363 2.381 -7.931 1.00 0.00 H new ATOM 0 HE ARG A 31 10.587 0.269 -9.379 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.366 2.601 -6.847 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.551 1.542 -6.075 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.110 -1.087 -8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.970 -0.537 -6.940 1.00 0.00 H new ATOM 471 N SER A 32 7.349 -1.771 -11.811 1.00 0.00 N ATOM 472 CA SER A 32 6.604 -3.024 -11.770 1.00 0.00 C ATOM 473 C SER A 32 7.474 -4.156 -11.231 1.00 0.00 C ATOM 474 O SER A 32 8.255 -4.757 -11.967 1.00 0.00 O ATOM 475 CB SER A 32 6.088 -3.382 -13.165 1.00 0.00 C ATOM 476 OG SER A 32 5.408 -2.287 -13.753 1.00 0.00 O ATOM 0 H SER A 32 8.273 -1.843 -12.237 1.00 0.00 H new ATOM 0 HA SER A 32 5.755 -2.891 -11.100 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.923 -3.679 -13.800 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.417 -4.238 -13.099 1.00 0.00 H new ATOM 0 HG SER A 32 4.451 -2.351 -13.554 1.00 0.00 H new ATOM 482 N ASP A 33 7.331 -4.440 -9.941 1.00 0.00 N ATOM 483 CA ASP A 33 8.103 -5.500 -9.302 1.00 0.00 C ATOM 484 C ASP A 33 7.208 -6.681 -8.940 1.00 0.00 C ATOM 485 O ASP A 33 6.250 -6.537 -8.179 1.00 0.00 O ATOM 486 CB ASP A 33 8.799 -4.968 -8.048 1.00 0.00 C ATOM 487 CG ASP A 33 10.161 -4.376 -8.349 1.00 0.00 C ATOM 488 OD1 ASP A 33 10.213 -3.288 -8.960 1.00 0.00 O ATOM 489 OD2 ASP A 33 11.176 -5.000 -7.974 1.00 0.00 O ATOM 0 H ASP A 33 6.688 -3.952 -9.318 1.00 0.00 H new ATOM 0 HA ASP A 33 8.858 -5.843 -10.009 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.171 -4.209 -7.582 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.909 -5.777 -7.326 1.00 0.00 H new ATOM 494 N VAL A 34 7.525 -7.848 -9.491 1.00 0.00 N ATOM 495 CA VAL A 34 6.750 -9.054 -9.226 1.00 0.00 C ATOM 496 C VAL A 34 7.576 -10.082 -8.462 1.00 0.00 C ATOM 497 O VAL A 34 8.479 -10.705 -9.020 1.00 0.00 O ATOM 498 CB VAL A 34 6.239 -9.691 -10.533 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.196 -8.800 -11.189 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.397 -9.959 -11.482 1.00 0.00 C ATOM 0 H VAL A 34 8.313 -7.984 -10.124 1.00 0.00 H new ATOM 0 HA VAL A 34 5.896 -8.754 -8.618 1.00 0.00 H new ATOM 0 HB VAL A 34 5.768 -10.644 -10.293 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.847 -9.266 -12.110 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.355 -8.664 -10.510 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.638 -7.830 -11.418 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.019 -10.409 -12.400 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.899 -9.021 -11.718 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.105 -10.640 -11.009 1.00 0.00 H new ATOM 510 N GLN A 35 7.261 -10.253 -7.182 1.00 0.00 N ATOM 511 CA GLN A 35 7.975 -11.206 -6.341 1.00 0.00 C ATOM 512 C GLN A 35 7.000 -12.098 -5.579 1.00 0.00 C ATOM 513 O GLN A 35 7.258 -13.284 -5.375 1.00 0.00 O ATOM 514 CB GLN A 35 8.885 -10.468 -5.357 1.00 0.00 C ATOM 515 CG GLN A 35 9.990 -9.672 -6.031 1.00 0.00 C ATOM 516 CD GLN A 35 10.837 -8.896 -5.041 1.00 0.00 C ATOM 517 OE1 GLN A 35 10.334 -8.040 -4.313 1.00 0.00 O ATOM 518 NE2 GLN A 35 12.131 -9.192 -5.009 1.00 0.00 N ATOM 0 H GLN A 35 6.517 -9.744 -6.705 1.00 0.00 H new ATOM 0 HA GLN A 35 8.586 -11.836 -6.988 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.280 -9.793 -4.751 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.333 -11.192 -4.676 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.629 -10.351 -6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.548 -8.979 -6.747 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.506 -9.909 -5.630 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.750 -8.703 -4.363 1.00 0.00 H new ATOM 527 N ILE A 36 5.879 -11.518 -5.161 1.00 0.00 N ATOM 528 CA ILE A 36 4.866 -12.261 -4.422 1.00 0.00 C ATOM 529 C ILE A 36 3.529 -12.243 -5.155 1.00 0.00 C ATOM 530 O ILE A 36 3.362 -11.534 -6.148 1.00 0.00 O ATOM 531 CB ILE A 36 4.670 -11.690 -3.005 1.00 0.00 C ATOM 532 CG1 ILE A 36 4.255 -10.219 -3.078 1.00 0.00 C ATOM 533 CG2 ILE A 36 5.945 -11.847 -2.190 1.00 0.00 C ATOM 534 CD1 ILE A 36 5.425 -9.264 -3.156 1.00 0.00 C ATOM 0 H ILE A 36 5.650 -10.537 -5.322 1.00 0.00 H new ATOM 0 HA ILE A 36 5.222 -13.288 -4.344 1.00 0.00 H new ATOM 0 HB ILE A 36 3.875 -12.248 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.618 -10.072 -3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.655 -9.975 -2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.791 -11.439 -1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.201 -12.904 -2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.758 -11.311 -2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.056 -8.240 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.051 -9.382 -2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.013 -9.481 -4.048 1.00 0.00 H new ATOM 546 N HIS A 37 2.577 -13.027 -4.658 1.00 0.00 N ATOM 547 CA HIS A 37 1.252 -13.100 -5.264 1.00 0.00 C ATOM 548 C HIS A 37 0.782 -11.718 -5.709 1.00 0.00 C ATOM 549 O HIS A 37 0.397 -11.523 -6.862 1.00 0.00 O ATOM 550 CB HIS A 37 0.249 -13.699 -4.278 1.00 0.00 C ATOM 551 CG HIS A 37 -0.109 -12.778 -3.153 1.00 0.00 C ATOM 552 ND1 HIS A 37 0.773 -12.437 -2.149 1.00 0.00 N ATOM 553 CD2 HIS A 37 -1.261 -12.124 -2.877 1.00 0.00 C ATOM 554 CE1 HIS A 37 0.178 -11.614 -1.304 1.00 0.00 C ATOM 555 NE2 HIS A 37 -1.057 -11.408 -1.723 1.00 0.00 N ATOM 0 H HIS A 37 2.699 -13.621 -3.837 1.00 0.00 H new ATOM 0 HA HIS A 37 1.316 -13.744 -6.141 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.659 -13.971 -4.816 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.663 -14.619 -3.865 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.172 -12.159 -3.457 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.626 -11.183 -0.421 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -1.747 -10.814 -1.264 1.00 0.00 H new ATOM 563 N VAL A 38 0.815 -10.761 -4.786 1.00 0.00 N ATOM 564 CA VAL A 38 0.392 -9.398 -5.083 1.00 0.00 C ATOM 565 C VAL A 38 1.594 -8.485 -5.299 1.00 0.00 C ATOM 566 O VAL A 38 2.230 -8.021 -4.353 1.00 0.00 O ATOM 567 CB VAL A 38 -0.480 -8.821 -3.952 1.00 0.00 C ATOM 568 CG1 VAL A 38 0.298 -8.782 -2.645 1.00 0.00 C ATOM 569 CG2 VAL A 38 -0.985 -7.435 -4.323 1.00 0.00 C ATOM 0 H VAL A 38 1.130 -10.905 -3.827 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.197 -9.442 -5.999 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.343 -9.472 -3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.334 -8.371 -1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.605 -9.792 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.181 -8.154 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.599 -7.043 -3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.137 -6.771 -4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.581 -7.497 -5.233 1.00 0.00 H new ATOM 579 N PRO A 39 1.914 -8.220 -6.575 1.00 0.00 N ATOM 580 CA PRO A 39 3.041 -7.359 -6.946 1.00 0.00 C ATOM 581 C PRO A 39 2.790 -5.895 -6.601 1.00 0.00 C ATOM 582 O PRO A 39 1.828 -5.565 -5.906 1.00 0.00 O ATOM 583 CB PRO A 39 3.142 -7.542 -8.462 1.00 0.00 C ATOM 584 CG PRO A 39 1.771 -7.937 -8.889 1.00 0.00 C ATOM 585 CD PRO A 39 1.199 -8.739 -7.753 1.00 0.00 C ATOM 0 HA PRO A 39 3.952 -7.625 -6.409 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.459 -6.621 -8.951 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.873 -8.308 -8.720 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.158 -7.059 -9.095 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.802 -8.526 -9.806 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.122 -8.598 -7.664 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.370 -9.807 -7.889 1.00 0.00 H new ATOM 593 N THR A 40 3.661 -5.018 -7.092 1.00 0.00 N ATOM 594 CA THR A 40 3.534 -3.589 -6.836 1.00 0.00 C ATOM 595 C THR A 40 3.625 -2.788 -8.130 1.00 0.00 C ATOM 596 O THR A 40 4.634 -2.841 -8.834 1.00 0.00 O ATOM 597 CB THR A 40 4.620 -3.095 -5.862 1.00 0.00 C ATOM 598 OG1 THR A 40 5.914 -3.238 -6.457 1.00 0.00 O ATOM 599 CG2 THR A 40 4.569 -3.872 -4.555 1.00 0.00 C ATOM 0 H THR A 40 4.462 -5.273 -7.669 1.00 0.00 H new ATOM 0 HA THR A 40 2.554 -3.434 -6.385 1.00 0.00 H new ATOM 0 HB THR A 40 4.433 -2.043 -5.648 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.824 -3.273 -7.432 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.345 -3.505 -3.883 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.593 -3.737 -4.089 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.733 -4.931 -4.755 1.00 0.00 H new ATOM 607 N PHE A 41 2.566 -2.047 -8.437 1.00 0.00 N ATOM 608 CA PHE A 41 2.527 -1.234 -9.647 1.00 0.00 C ATOM 609 C PHE A 41 2.247 0.228 -9.312 1.00 0.00 C ATOM 610 O PHE A 41 1.209 0.558 -8.738 1.00 0.00 O ATOM 611 CB PHE A 41 1.459 -1.762 -10.607 1.00 0.00 C ATOM 612 CG PHE A 41 1.841 -3.051 -11.278 1.00 0.00 C ATOM 613 CD1 PHE A 41 1.892 -4.234 -10.558 1.00 0.00 C ATOM 614 CD2 PHE A 41 2.148 -3.079 -12.629 1.00 0.00 C ATOM 615 CE1 PHE A 41 2.243 -5.421 -11.172 1.00 0.00 C ATOM 616 CE2 PHE A 41 2.499 -4.264 -13.248 1.00 0.00 C ATOM 617 CZ PHE A 41 2.547 -5.436 -12.519 1.00 0.00 C ATOM 0 H PHE A 41 1.723 -1.993 -7.865 1.00 0.00 H new ATOM 0 HA PHE A 41 3.503 -1.297 -10.129 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.529 -1.909 -10.058 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.263 -1.009 -11.370 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.655 -4.228 -9.504 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.113 -2.166 -13.204 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.280 -6.336 -10.599 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.736 -4.273 -14.302 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.822 -6.362 -13.001 1.00 0.00 H new ATOM 627 N THR A 42 3.182 1.101 -9.673 1.00 0.00 N ATOM 628 CA THR A 42 3.039 2.527 -9.410 1.00 0.00 C ATOM 629 C THR A 42 2.324 3.229 -10.559 1.00 0.00 C ATOM 630 O THR A 42 2.894 3.421 -11.634 1.00 0.00 O ATOM 631 CB THR A 42 4.407 3.198 -9.186 1.00 0.00 C ATOM 632 OG1 THR A 42 5.016 2.682 -7.997 1.00 0.00 O ATOM 633 CG2 THR A 42 4.258 4.707 -9.071 1.00 0.00 C ATOM 0 H THR A 42 4.047 0.845 -10.149 1.00 0.00 H new ATOM 0 HA THR A 42 2.443 2.622 -8.502 1.00 0.00 H new ATOM 0 HB THR A 42 5.041 2.976 -10.045 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.886 3.112 -7.862 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.238 5.158 -8.913 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.821 5.100 -9.989 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.609 4.945 -8.229 1.00 0.00 H new ATOM 641 N PHE A 43 1.073 3.612 -10.326 1.00 0.00 N ATOM 642 CA PHE A 43 0.279 4.293 -11.342 1.00 0.00 C ATOM 643 C PHE A 43 0.411 5.807 -11.210 1.00 0.00 C ATOM 644 O PHE A 43 0.287 6.359 -10.117 1.00 0.00 O ATOM 645 CB PHE A 43 -1.191 3.886 -11.230 1.00 0.00 C ATOM 646 CG PHE A 43 -1.581 2.781 -12.170 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.321 2.884 -13.527 1.00 0.00 C ATOM 648 CD2 PHE A 43 -2.207 1.639 -11.696 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.679 1.869 -14.394 1.00 0.00 C ATOM 650 CE2 PHE A 43 -2.567 0.620 -12.558 1.00 0.00 C ATOM 651 CZ PHE A 43 -2.301 0.735 -13.909 1.00 0.00 C ATOM 0 H PHE A 43 0.587 3.462 -9.442 1.00 0.00 H new ATOM 0 HA PHE A 43 0.656 3.997 -12.321 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.395 3.571 -10.207 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.817 4.757 -11.426 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.833 3.767 -13.912 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.416 1.544 -10.641 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.473 1.962 -15.450 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.055 -0.264 -12.176 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.579 -0.060 -14.585 1.00 0.00 H new ATOM 661 N ARG A 44 0.664 6.473 -12.332 1.00 0.00 N ATOM 662 CA ARG A 44 0.814 7.924 -12.343 1.00 0.00 C ATOM 663 C ARG A 44 -0.404 8.592 -12.972 1.00 0.00 C ATOM 664 O ARG A 44 -0.681 8.412 -14.158 1.00 0.00 O ATOM 665 CB ARG A 44 2.079 8.321 -13.107 1.00 0.00 C ATOM 666 CG ARG A 44 2.436 9.792 -12.970 1.00 0.00 C ATOM 667 CD ARG A 44 3.607 10.166 -13.864 1.00 0.00 C ATOM 668 NE ARG A 44 4.887 9.766 -13.286 1.00 0.00 N ATOM 669 CZ ARG A 44 6.048 10.320 -13.616 1.00 0.00 C ATOM 670 NH1 ARG A 44 6.090 11.293 -14.516 1.00 0.00 N ATOM 671 NH2 ARG A 44 7.171 9.902 -13.046 1.00 0.00 N ATOM 0 H ARG A 44 0.769 6.031 -13.245 1.00 0.00 H new ATOM 0 HA ARG A 44 0.899 8.263 -11.311 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.914 7.718 -12.749 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.945 8.085 -14.163 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.571 10.403 -13.227 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.685 10.012 -11.932 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.485 9.692 -14.838 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.606 11.243 -14.031 1.00 0.00 H new ATOM 0 HE ARG A 44 4.890 9.020 -12.590 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.229 11.618 -14.957 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.983 11.717 -14.768 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.143 9.154 -12.353 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.062 10.329 -13.301 1.00 0.00 H new ATOM 685 N VAL A 45 -1.130 9.364 -12.169 1.00 0.00 N ATOM 686 CA VAL A 45 -2.319 10.060 -12.647 1.00 0.00 C ATOM 687 C VAL A 45 -2.011 11.520 -12.965 1.00 0.00 C ATOM 688 O VAL A 45 -1.598 12.283 -12.091 1.00 0.00 O ATOM 689 CB VAL A 45 -3.458 10.001 -11.613 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.256 11.054 -10.534 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.806 10.176 -12.295 1.00 0.00 C ATOM 0 H VAL A 45 -0.915 9.523 -11.185 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.638 9.552 -13.557 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.442 9.021 -11.137 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.071 10.997 -9.813 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.308 10.877 -10.026 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.244 12.044 -10.990 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.600 10.132 -11.549 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.836 11.142 -12.800 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.950 9.380 -13.026 1.00 0.00 H new ATOM 701 N THR A 46 -2.214 11.902 -14.222 1.00 0.00 N ATOM 702 CA THR A 46 -1.958 13.269 -14.655 1.00 0.00 C ATOM 703 C THR A 46 -3.220 13.913 -15.220 1.00 0.00 C ATOM 704 O THR A 46 -3.655 13.586 -16.324 1.00 0.00 O ATOM 705 CB THR A 46 -0.848 13.322 -15.722 1.00 0.00 C ATOM 706 OG1 THR A 46 0.394 12.885 -15.158 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.693 14.731 -16.273 1.00 0.00 C ATOM 0 H THR A 46 -2.555 11.283 -14.958 1.00 0.00 H new ATOM 0 HA THR A 46 -1.633 13.823 -13.774 1.00 0.00 H new ATOM 0 HB THR A 46 -1.129 12.659 -16.540 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.765 13.595 -14.594 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.096 14.743 -17.024 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.631 15.049 -16.727 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.433 15.412 -15.463 1.00 0.00 H new ATOM 715 N VAL A 47 -3.804 14.830 -14.455 1.00 0.00 N ATOM 716 CA VAL A 47 -5.015 15.521 -14.880 1.00 0.00 C ATOM 717 C VAL A 47 -4.775 17.021 -15.013 1.00 0.00 C ATOM 718 O VAL A 47 -4.630 17.727 -14.017 1.00 0.00 O ATOM 719 CB VAL A 47 -6.173 15.283 -13.892 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.386 16.114 -14.282 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.525 13.805 -13.831 1.00 0.00 C ATOM 0 H VAL A 47 -3.458 15.111 -13.538 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.287 15.112 -15.853 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.852 15.597 -12.899 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.194 15.933 -13.573 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.122 17.171 -14.269 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.712 15.834 -15.283 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.345 13.655 -13.128 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.828 13.462 -14.820 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.655 13.237 -13.500 1.00 0.00 H new ATOM 731 N GLY A 48 -4.733 17.500 -16.253 1.00 0.00 N ATOM 732 CA GLY A 48 -4.511 18.914 -16.494 1.00 0.00 C ATOM 733 C GLY A 48 -3.169 19.387 -15.972 1.00 0.00 C ATOM 734 O GLY A 48 -2.146 19.237 -16.641 1.00 0.00 O ATOM 0 H GLY A 48 -4.849 16.935 -17.094 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.571 19.111 -17.564 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.306 19.490 -16.019 1.00 0.00 H new ATOM 738 N ASP A 49 -3.171 19.960 -14.773 1.00 0.00 N ATOM 739 CA ASP A 49 -1.944 20.458 -14.162 1.00 0.00 C ATOM 740 C ASP A 49 -1.548 19.600 -12.963 1.00 0.00 C ATOM 741 O ASP A 49 -0.390 19.598 -12.546 1.00 0.00 O ATOM 742 CB ASP A 49 -2.119 21.914 -13.727 1.00 0.00 C ATOM 743 CG ASP A 49 -0.798 22.650 -13.622 1.00 0.00 C ATOM 744 OD1 ASP A 49 -0.006 22.587 -14.586 1.00 0.00 O ATOM 745 OD2 ASP A 49 -0.555 23.287 -12.576 1.00 0.00 O ATOM 0 H ASP A 49 -4.008 20.091 -14.205 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.149 20.403 -14.905 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.762 22.428 -14.441 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.626 21.943 -12.762 1.00 0.00 H new ATOM 750 N ILE A 50 -2.517 18.876 -12.415 1.00 0.00 N ATOM 751 CA ILE A 50 -2.270 18.015 -11.265 1.00 0.00 C ATOM 752 C ILE A 50 -1.685 16.674 -11.698 1.00 0.00 C ATOM 753 O ILE A 50 -2.234 15.996 -12.567 1.00 0.00 O ATOM 754 CB ILE A 50 -3.559 17.764 -10.461 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.257 19.090 -10.150 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.245 17.010 -9.178 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.754 18.958 -9.977 1.00 0.00 C ATOM 0 H ILE A 50 -3.481 18.868 -12.749 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.552 18.535 -10.631 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.232 17.153 -11.062 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.830 19.512 -9.240 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.053 19.796 -10.955 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.166 16.840 -8.621 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.787 16.052 -9.422 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.556 17.597 -8.570 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.183 19.936 -9.759 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.193 18.566 -10.894 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.966 18.277 -9.153 1.00 0.00 H new ATOM 769 N THR A 51 -0.568 16.296 -11.085 1.00 0.00 N ATOM 770 CA THR A 51 0.091 15.037 -11.405 1.00 0.00 C ATOM 771 C THR A 51 0.490 14.287 -10.139 1.00 0.00 C ATOM 772 O THR A 51 1.394 14.707 -9.416 1.00 0.00 O ATOM 773 CB THR A 51 1.346 15.263 -12.270 1.00 0.00 C ATOM 774 OG1 THR A 51 0.965 15.517 -13.627 1.00 0.00 O ATOM 775 CG2 THR A 51 2.267 14.054 -12.214 1.00 0.00 C ATOM 0 H THR A 51 -0.101 16.845 -10.363 1.00 0.00 H new ATOM 0 HA THR A 51 -0.627 14.440 -11.967 1.00 0.00 H new ATOM 0 HB THR A 51 1.882 16.126 -11.876 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.768 15.661 -14.171 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.146 14.237 -12.832 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.578 13.881 -11.184 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.738 13.176 -12.586 1.00 0.00 H new ATOM 783 N CYS A 52 -0.190 13.176 -9.877 1.00 0.00 N ATOM 784 CA CYS A 52 0.094 12.367 -8.697 1.00 0.00 C ATOM 785 C CYS A 52 0.341 10.912 -9.081 1.00 0.00 C ATOM 786 O CYS A 52 0.199 10.532 -10.244 1.00 0.00 O ATOM 787 CB CYS A 52 -1.064 12.455 -7.702 1.00 0.00 C ATOM 788 SG CYS A 52 -1.427 14.134 -7.138 1.00 0.00 S ATOM 0 H CYS A 52 -0.941 12.815 -10.465 1.00 0.00 H new ATOM 0 HA CYS A 52 0.997 12.758 -8.228 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.958 12.037 -8.164 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.833 11.834 -6.836 1.00 0.00 H new ATOM 0 HG CYS A 52 -0.602 14.968 -7.698 1.00 0.00 H new ATOM 794 N THR A 53 0.713 10.100 -8.097 1.00 0.00 N ATOM 795 CA THR A 53 0.983 8.687 -8.332 1.00 0.00 C ATOM 796 C THR A 53 0.475 7.831 -7.177 1.00 0.00 C ATOM 797 O THR A 53 0.242 8.330 -6.077 1.00 0.00 O ATOM 798 CB THR A 53 2.488 8.427 -8.526 1.00 0.00 C ATOM 799 OG1 THR A 53 3.202 8.764 -7.331 1.00 0.00 O ATOM 800 CG2 THR A 53 3.032 9.238 -9.693 1.00 0.00 C ATOM 0 H THR A 53 0.834 10.397 -7.129 1.00 0.00 H new ATOM 0 HA THR A 53 0.454 8.412 -9.245 1.00 0.00 H new ATOM 0 HB THR A 53 2.625 7.368 -8.745 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.158 8.594 -7.462 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.097 9.038 -9.810 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.507 8.958 -10.606 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.882 10.300 -9.499 1.00 0.00 H new ATOM 808 N GLY A 54 0.307 6.537 -7.435 1.00 0.00 N ATOM 809 CA GLY A 54 -0.171 5.632 -6.406 1.00 0.00 C ATOM 810 C GLY A 54 0.654 4.363 -6.322 1.00 0.00 C ATOM 811 O GLY A 54 0.332 3.363 -6.963 1.00 0.00 O ATOM 0 H GLY A 54 0.493 6.100 -8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.150 6.140 -5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.210 5.373 -6.608 1.00 0.00 H new ATOM 815 N GLU A 55 1.721 4.404 -5.530 1.00 0.00 N ATOM 816 CA GLU A 55 2.595 3.248 -5.367 1.00 0.00 C ATOM 817 C GLU A 55 2.271 2.499 -4.078 1.00 0.00 C ATOM 818 O GLU A 55 1.860 3.098 -3.086 1.00 0.00 O ATOM 819 CB GLU A 55 4.061 3.687 -5.361 1.00 0.00 C ATOM 820 CG GLU A 55 5.027 2.576 -4.983 1.00 0.00 C ATOM 821 CD GLU A 55 6.442 3.079 -4.776 1.00 0.00 C ATOM 822 OE1 GLU A 55 7.046 3.571 -5.752 1.00 0.00 O ATOM 823 OE2 GLU A 55 6.946 2.981 -3.637 1.00 0.00 O ATOM 0 H GLU A 55 2.001 5.224 -4.992 1.00 0.00 H new ATOM 0 HA GLU A 55 2.428 2.576 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.323 4.064 -6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.181 4.515 -4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.680 2.093 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.026 1.817 -5.765 1.00 0.00 H new ATOM 830 N GLY A 56 2.460 1.183 -4.102 1.00 0.00 N ATOM 831 CA GLY A 56 2.183 0.372 -2.931 1.00 0.00 C ATOM 832 C GLY A 56 1.653 -1.002 -3.289 1.00 0.00 C ATOM 833 O GLY A 56 2.116 -2.013 -2.759 1.00 0.00 O ATOM 0 H GLY A 56 2.800 0.664 -4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.095 0.264 -2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.457 0.885 -2.301 1.00 0.00 H new ATOM 837 N THR A 57 0.677 -1.042 -4.191 1.00 0.00 N ATOM 838 CA THR A 57 0.082 -2.302 -4.618 1.00 0.00 C ATOM 839 C THR A 57 -0.068 -2.354 -6.134 1.00 0.00 C ATOM 840 O THR A 57 0.339 -1.431 -6.840 1.00 0.00 O ATOM 841 CB THR A 57 -1.299 -2.519 -3.970 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.356 -1.851 -2.705 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.581 -4.002 -3.780 1.00 0.00 C ATOM 0 H THR A 57 0.282 -0.216 -4.640 1.00 0.00 H new ATOM 0 HA THR A 57 0.756 -3.095 -4.295 1.00 0.00 H new ATOM 0 HB THR A 57 -2.057 -2.104 -4.634 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.484 -2.511 -1.992 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.561 -4.130 -3.321 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.566 -4.502 -4.748 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.818 -4.438 -3.134 1.00 0.00 H new ATOM 851 N SER A 58 -0.654 -3.440 -6.629 1.00 0.00 N ATOM 852 CA SER A 58 -0.854 -3.613 -8.063 1.00 0.00 C ATOM 853 C SER A 58 -2.151 -2.949 -8.515 1.00 0.00 C ATOM 854 O SER A 58 -2.882 -2.374 -7.709 1.00 0.00 O ATOM 855 CB SER A 58 -0.879 -5.101 -8.420 1.00 0.00 C ATOM 856 OG SER A 58 -1.407 -5.305 -9.719 1.00 0.00 O ATOM 0 H SER A 58 -0.998 -4.212 -6.059 1.00 0.00 H new ATOM 0 HA SER A 58 -0.022 -3.136 -8.581 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.131 -5.508 -8.366 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.480 -5.643 -7.690 1.00 0.00 H new ATOM 0 HG SER A 58 -1.411 -6.263 -9.924 1.00 0.00 H new ATOM 862 N LYS A 59 -2.430 -3.032 -9.812 1.00 0.00 N ATOM 863 CA LYS A 59 -3.639 -2.441 -10.374 1.00 0.00 C ATOM 864 C LYS A 59 -4.797 -2.525 -9.384 1.00 0.00 C ATOM 865 O LYS A 59 -5.673 -1.660 -9.363 1.00 0.00 O ATOM 866 CB LYS A 59 -4.017 -3.146 -11.678 1.00 0.00 C ATOM 867 CG LYS A 59 -2.947 -3.052 -12.752 1.00 0.00 C ATOM 868 CD LYS A 59 -2.962 -4.269 -13.662 1.00 0.00 C ATOM 869 CE LYS A 59 -1.579 -4.564 -14.221 1.00 0.00 C ATOM 870 NZ LYS A 59 -0.798 -5.461 -13.325 1.00 0.00 N ATOM 0 H LYS A 59 -1.835 -3.503 -10.494 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.437 -1.390 -10.581 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.218 -4.197 -11.468 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.942 -2.714 -12.060 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.104 -2.151 -13.345 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.967 -2.959 -12.284 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.324 -5.135 -13.107 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.659 -4.102 -14.483 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.675 -5.026 -15.203 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.037 -3.629 -14.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.192 -5.143 -13.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.203 -5.433 -12.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.837 -6.434 -13.689 1.00 0.00 H new ATOM 884 N LYS A 60 -4.794 -3.570 -8.564 1.00 0.00 N ATOM 885 CA LYS A 60 -5.842 -3.766 -7.570 1.00 0.00 C ATOM 886 C LYS A 60 -6.061 -2.497 -6.753 1.00 0.00 C ATOM 887 O LYS A 60 -7.076 -1.815 -6.906 1.00 0.00 O ATOM 888 CB LYS A 60 -5.481 -4.927 -6.640 1.00 0.00 C ATOM 889 CG LYS A 60 -5.653 -6.294 -7.280 1.00 0.00 C ATOM 890 CD LYS A 60 -5.474 -7.411 -6.265 1.00 0.00 C ATOM 891 CE LYS A 60 -4.004 -7.729 -6.039 1.00 0.00 C ATOM 892 NZ LYS A 60 -3.806 -9.128 -5.569 1.00 0.00 N ATOM 0 H LYS A 60 -4.077 -4.295 -8.568 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.767 -4.003 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.446 -4.814 -6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.103 -4.873 -5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.644 -6.365 -7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.929 -6.413 -8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.934 -7.122 -5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.992 -8.305 -6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.452 -7.576 -6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.591 -7.037 -5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.791 -9.306 -5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.311 -9.267 -4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.177 -9.789 -6.281 1.00 0.00 H new ATOM 906 N LEU A 61 -5.104 -2.183 -5.887 1.00 0.00 N ATOM 907 CA LEU A 61 -5.192 -0.994 -5.047 1.00 0.00 C ATOM 908 C LEU A 61 -4.479 0.187 -5.698 1.00 0.00 C ATOM 909 O LEU A 61 -5.048 1.269 -5.835 1.00 0.00 O ATOM 910 CB LEU A 61 -4.587 -1.272 -3.669 1.00 0.00 C ATOM 911 CG LEU A 61 -3.942 -0.078 -2.965 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.840 1.146 -3.060 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.645 -0.413 -1.511 1.00 0.00 C ATOM 0 H LEU A 61 -4.258 -2.735 -5.748 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.246 -0.740 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.371 -1.668 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.836 -2.054 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.000 0.149 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.365 1.986 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.001 1.398 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.798 0.932 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.186 0.448 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.573 -0.666 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.962 -1.262 -1.465 1.00 0.00 H new ATOM 925 N ALA A 62 -3.231 -0.030 -6.100 1.00 0.00 N ATOM 926 CA ALA A 62 -2.442 1.014 -6.741 1.00 0.00 C ATOM 927 C ALA A 62 -3.329 1.949 -7.557 1.00 0.00 C ATOM 928 O ALA A 62 -3.224 3.171 -7.451 1.00 0.00 O ATOM 929 CB ALA A 62 -1.368 0.397 -7.625 1.00 0.00 C ATOM 0 H ALA A 62 -2.745 -0.920 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.960 1.602 -5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.786 1.189 -8.097 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.709 -0.224 -7.018 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.838 -0.216 -8.394 1.00 0.00 H new ATOM 935 N LYS A 63 -4.202 1.367 -8.372 1.00 0.00 N ATOM 936 CA LYS A 63 -5.108 2.147 -9.207 1.00 0.00 C ATOM 937 C LYS A 63 -6.026 3.014 -8.350 1.00 0.00 C ATOM 938 O LYS A 63 -6.116 4.225 -8.550 1.00 0.00 O ATOM 939 CB LYS A 63 -5.943 1.221 -10.093 1.00 0.00 C ATOM 940 CG LYS A 63 -6.418 1.874 -11.379 1.00 0.00 C ATOM 941 CD LYS A 63 -5.418 1.680 -12.506 1.00 0.00 C ATOM 942 CE LYS A 63 -5.879 2.361 -13.785 1.00 0.00 C ATOM 943 NZ LYS A 63 -5.366 1.668 -14.999 1.00 0.00 N ATOM 0 H LYS A 63 -4.301 0.357 -8.472 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.508 2.800 -9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.352 0.339 -10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.810 0.877 -9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.380 1.452 -11.669 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.575 2.939 -11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.450 2.082 -12.208 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.278 0.615 -12.690 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.968 2.383 -13.812 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.539 3.397 -13.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.338 2.337 -15.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.408 1.309 -14.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.994 0.874 -15.237 1.00 0.00 H new ATOM 957 N HIS A 64 -6.705 2.385 -7.396 1.00 0.00 N ATOM 958 CA HIS A 64 -7.615 3.099 -6.508 1.00 0.00 C ATOM 959 C HIS A 64 -6.940 4.335 -5.918 1.00 0.00 C ATOM 960 O HIS A 64 -7.516 5.423 -5.910 1.00 0.00 O ATOM 961 CB HIS A 64 -8.091 2.179 -5.384 1.00 0.00 C ATOM 962 CG HIS A 64 -9.470 2.497 -4.893 1.00 0.00 C ATOM 963 ND1 HIS A 64 -10.614 2.059 -5.527 1.00 0.00 N ATOM 964 CD2 HIS A 64 -9.886 3.213 -3.822 1.00 0.00 C ATOM 965 CE1 HIS A 64 -11.674 2.493 -4.869 1.00 0.00 C ATOM 966 NE2 HIS A 64 -11.259 3.196 -3.830 1.00 0.00 N ATOM 0 H HIS A 64 -6.642 1.383 -7.218 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.476 3.421 -7.093 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.068 1.148 -5.736 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.393 2.247 -4.550 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.256 3.706 -3.097 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.704 2.305 -5.135 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.861 3.652 -3.145 1.00 0.00 H new ATOM 974 N ARG A 65 -5.719 4.158 -5.426 1.00 0.00 N ATOM 975 CA ARG A 65 -4.967 5.258 -4.833 1.00 0.00 C ATOM 976 C ARG A 65 -4.622 6.309 -5.884 1.00 0.00 C ATOM 977 O ARG A 65 -4.812 7.505 -5.665 1.00 0.00 O ATOM 978 CB ARG A 65 -3.686 4.735 -4.180 1.00 0.00 C ATOM 979 CG ARG A 65 -3.840 4.425 -2.700 1.00 0.00 C ATOM 980 CD ARG A 65 -2.585 3.782 -2.132 1.00 0.00 C ATOM 981 NE ARG A 65 -2.379 4.129 -0.728 1.00 0.00 N ATOM 982 CZ ARG A 65 -3.011 3.531 0.276 1.00 0.00 C ATOM 983 NH1 ARG A 65 -3.882 2.562 0.033 1.00 0.00 N ATOM 984 NH2 ARG A 65 -2.771 3.902 1.527 1.00 0.00 N ATOM 0 H ARG A 65 -5.229 3.264 -5.426 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.592 5.723 -4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.365 3.832 -4.700 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.895 5.474 -4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.058 5.344 -2.155 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.690 3.759 -2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.656 2.699 -2.231 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.720 4.099 -2.714 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.714 4.870 -0.507 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.069 2.273 -0.927 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.365 2.105 0.806 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.101 4.647 1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.257 3.442 2.297 1.00 0.00 H new ATOM 998 N ALA A 66 -4.115 5.854 -7.025 1.00 0.00 N ATOM 999 CA ALA A 66 -3.745 6.755 -8.109 1.00 0.00 C ATOM 1000 C ALA A 66 -4.864 7.748 -8.404 1.00 0.00 C ATOM 1001 O ALA A 66 -4.637 8.956 -8.457 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.399 5.961 -9.360 1.00 0.00 C ATOM 0 H ALA A 66 -3.951 4.867 -7.222 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.867 7.320 -7.795 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.125 6.647 -10.162 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.562 5.296 -9.149 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.263 5.371 -9.667 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.073 7.230 -8.596 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.228 8.072 -8.884 1.00 0.00 C ATOM 1010 C ALA A 67 -7.623 8.898 -7.665 1.00 0.00 C ATOM 1011 O ALA A 67 -7.960 10.075 -7.784 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.399 7.220 -9.349 1.00 0.00 C ATOM 0 H ALA A 67 -6.278 6.232 -8.557 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.954 8.761 -9.683 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.254 7.862 -9.560 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.119 6.679 -10.253 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.664 6.508 -8.567 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.579 8.272 -6.492 1.00 0.00 N ATOM 1019 CA GLU A 68 -7.935 8.950 -5.252 1.00 0.00 C ATOM 1020 C GLU A 68 -7.183 10.272 -5.119 1.00 0.00 C ATOM 1021 O GLU A 68 -7.787 11.323 -4.906 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.629 8.055 -4.049 1.00 0.00 C ATOM 1023 CG GLU A 68 -8.792 7.167 -3.640 1.00 0.00 C ATOM 1024 CD GLU A 68 -8.690 6.699 -2.201 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -8.176 7.469 -1.362 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -9.124 5.564 -1.914 1.00 0.00 O ATOM 0 H GLU A 68 -7.301 7.298 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.004 9.160 -5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.769 7.428 -4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.346 8.682 -3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.726 7.712 -3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.831 6.299 -4.299 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.862 10.210 -5.248 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.028 11.401 -5.144 1.00 0.00 C ATOM 1035 C ALA A 69 -5.657 12.578 -5.883 1.00 0.00 C ATOM 1036 O ALA A 69 -6.104 13.543 -5.264 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.635 11.119 -5.687 1.00 0.00 C ATOM 0 H ALA A 69 -5.346 9.348 -5.425 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.948 11.668 -4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.023 12.017 -5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.177 10.313 -5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.705 10.825 -6.734 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.687 12.491 -7.208 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.263 13.548 -8.031 1.00 0.00 C ATOM 1045 C ALA A 70 -7.540 14.097 -7.404 1.00 0.00 C ATOM 1046 O ALA A 70 -7.587 15.252 -6.980 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.541 13.032 -9.435 1.00 0.00 C ATOM 0 H ALA A 70 -5.319 11.699 -7.735 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.540 14.362 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.971 13.832 -10.038 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.610 12.695 -9.890 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.242 12.199 -9.384 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.573 13.263 -7.349 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.850 13.666 -6.774 1.00 0.00 C ATOM 1055 C ILE A 71 -9.646 14.555 -5.552 1.00 0.00 C ATOM 1056 O ILE A 71 -9.977 15.739 -5.571 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.696 12.444 -6.371 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.871 11.501 -7.563 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -12.050 12.890 -5.839 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.770 10.320 -7.273 1.00 0.00 C ATOM 0 H ILE A 71 -8.550 12.304 -7.696 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.380 14.227 -7.544 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.175 11.905 -5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.282 12.062 -8.402 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.892 11.135 -7.873 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.637 12.015 -5.558 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.906 13.526 -4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.578 13.449 -6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.848 9.695 -8.163 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.350 9.735 -6.455 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.761 10.677 -6.993 1.00 0.00 H new ATOM 1072 N ASN A 72 -9.097 13.974 -4.490 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.847 14.714 -3.258 1.00 0.00 C ATOM 1074 C ASN A 72 -8.392 16.138 -3.562 1.00 0.00 C ATOM 1075 O ASN A 72 -8.716 17.073 -2.829 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.791 13.998 -2.413 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.402 13.002 -1.446 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -9.428 13.275 -0.823 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -7.772 11.840 -1.318 1.00 0.00 N ATOM 0 H ASN A 72 -8.817 12.994 -4.458 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.780 14.762 -2.696 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.093 13.480 -3.071 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.215 14.736 -1.855 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.136 11.130 -0.683 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.924 11.658 -1.855 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.640 16.294 -4.646 1.00 0.00 N ATOM 1087 CA ILE A 73 -7.142 17.604 -5.047 1.00 0.00 C ATOM 1088 C ILE A 73 -8.195 18.374 -5.838 1.00 0.00 C ATOM 1089 O ILE A 73 -8.457 19.546 -5.566 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.864 17.484 -5.898 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.723 16.899 -5.062 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -5.473 18.842 -6.461 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.719 16.113 -5.876 1.00 0.00 C ATOM 0 H ILE A 73 -7.362 15.530 -5.262 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.909 18.147 -4.131 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.062 16.810 -6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.207 17.710 -4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.142 16.250 -4.293 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.568 18.741 -7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.281 19.223 -7.086 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.290 19.537 -5.641 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.939 15.728 -5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.222 15.281 -6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.272 16.763 -6.628 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.796 17.707 -6.817 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.823 18.327 -7.647 1.00 0.00 C ATOM 1107 C LEU A 74 -10.891 18.993 -6.786 1.00 0.00 C ATOM 1108 O LEU A 74 -11.634 19.855 -7.255 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.466 17.284 -8.562 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.703 16.956 -9.846 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -8.203 16.976 -9.596 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -10.137 15.603 -10.393 1.00 0.00 C ATOM 0 H LEU A 74 -8.590 16.737 -7.056 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.347 19.093 -8.259 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.595 16.362 -7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.462 17.633 -8.834 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.936 17.718 -10.589 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.677 16.740 -10.521 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.905 17.966 -9.251 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.951 16.236 -8.836 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.584 15.386 -11.307 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.934 14.829 -9.653 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.205 15.624 -10.611 1.00 0.00 H new ATOM 1124 N LYS A 75 -10.961 18.589 -5.522 1.00 0.00 N ATOM 1125 CA LYS A 75 -11.935 19.147 -4.592 1.00 0.00 C ATOM 1126 C LYS A 75 -11.369 20.373 -3.882 1.00 0.00 C ATOM 1127 O LYS A 75 -11.882 21.482 -4.034 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.350 18.094 -3.562 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.724 16.757 -4.176 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.532 15.617 -3.190 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.739 15.459 -2.279 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.537 14.382 -1.271 1.00 0.00 N ATOM 0 H LYS A 75 -10.354 17.876 -5.118 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.812 19.452 -5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.532 17.945 -2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.198 18.472 -2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.763 16.784 -4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.115 16.579 -5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.362 14.688 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.642 15.801 -2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.934 16.402 -1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.620 15.233 -2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.382 14.306 -0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.376 13.477 -1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.712 14.609 -0.681 1.00 0.00 H new ATOM 1146 N ALA A 76 -10.309 20.166 -3.109 1.00 0.00 N ATOM 1147 CA ALA A 76 -9.671 21.255 -2.379 1.00 0.00 C ATOM 1148 C ALA A 76 -9.118 22.307 -3.335 1.00 0.00 C ATOM 1149 O ALA A 76 -9.446 23.488 -3.230 1.00 0.00 O ATOM 1150 CB ALA A 76 -8.564 20.715 -1.486 1.00 0.00 C ATOM 0 H ALA A 76 -9.873 19.254 -2.972 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.426 21.732 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.097 21.539 -0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.985 20.007 -0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.816 20.211 -2.098 1.00 0.00 H new ATOM 1156 N ASN A 77 -8.276 21.869 -4.265 1.00 0.00 N ATOM 1157 CA ASN A 77 -7.676 22.774 -5.239 1.00 0.00 C ATOM 1158 C ASN A 77 -8.726 23.298 -6.214 1.00 0.00 C ATOM 1159 O ASN A 77 -8.595 24.397 -6.751 1.00 0.00 O ATOM 1160 CB ASN A 77 -6.560 22.062 -6.007 1.00 0.00 C ATOM 1161 CG ASN A 77 -5.251 22.045 -5.241 1.00 0.00 C ATOM 1162 OD1 ASN A 77 -5.233 21.337 -4.117 1.00 0.00 O flip ATOM 1163 ND2 ASN A 77 -4.268 22.659 -5.655 1.00 0.00 N flip ATOM 0 H ASN A 77 -7.994 20.894 -4.365 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.253 23.621 -4.699 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.866 21.038 -6.221 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.410 22.557 -6.967 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.327 23.190 -6.524 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.394 22.637 -5.129 1.00 0.00 H new ATOM 1170 N ALA A 78 -9.767 22.503 -6.438 1.00 0.00 N ATOM 1171 CA ALA A 78 -10.841 22.887 -7.346 1.00 0.00 C ATOM 1172 C ALA A 78 -10.292 23.256 -8.720 1.00 0.00 C ATOM 1173 O ALA A 78 -10.864 24.087 -9.425 1.00 0.00 O ATOM 1174 CB ALA A 78 -11.634 24.047 -6.763 1.00 0.00 C ATOM 0 H ALA A 78 -9.889 21.589 -6.003 1.00 0.00 H new ATOM 0 HA ALA A 78 -11.505 22.031 -7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.433 24.324 -7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -12.065 23.749 -5.807 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.973 24.900 -6.612 1.00 0.00 H new ATOM 1180 N SER A 79 -9.178 22.633 -9.094 1.00 0.00 N ATOM 1181 CA SER A 79 -8.550 22.900 -10.382 1.00 0.00 C ATOM 1182 C SER A 79 -9.601 23.179 -11.452 1.00 0.00 C ATOM 1183 O SER A 79 -10.447 22.335 -11.743 1.00 0.00 O ATOM 1184 CB SER A 79 -7.679 21.715 -10.804 1.00 0.00 C ATOM 1185 OG SER A 79 -6.435 21.729 -10.125 1.00 0.00 O ATOM 0 H SER A 79 -8.693 21.941 -8.523 1.00 0.00 H new ATOM 0 HA SER A 79 -7.922 23.784 -10.275 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.202 20.782 -10.593 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.510 21.749 -11.880 1.00 0.00 H new ATOM 0 HG SER A 79 -6.590 21.694 -9.158 1.00 0.00 H new ATOM 1191 N GLY A 80 -9.541 24.373 -12.035 1.00 0.00 N ATOM 1192 CA GLY A 80 -10.492 24.744 -13.066 1.00 0.00 C ATOM 1193 C GLY A 80 -11.184 26.060 -12.770 1.00 0.00 C ATOM 1194 O GLY A 80 -11.302 26.479 -11.618 1.00 0.00 O ATOM 0 H GLY A 80 -8.850 25.090 -11.811 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.976 24.816 -14.023 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.240 23.958 -13.166 1.00 0.00 H new ATOM 1198 N PRO A 81 -11.653 26.738 -13.828 1.00 0.00 N ATOM 1199 CA PRO A 81 -12.343 28.025 -13.702 1.00 0.00 C ATOM 1200 C PRO A 81 -13.718 27.884 -13.058 1.00 0.00 C ATOM 1201 O PRO A 81 -14.164 28.767 -12.325 1.00 0.00 O ATOM 1202 CB PRO A 81 -12.478 28.499 -15.151 1.00 0.00 C ATOM 1203 CG PRO A 81 -12.452 27.250 -15.962 1.00 0.00 C ATOM 1204 CD PRO A 81 -11.547 26.299 -15.230 1.00 0.00 C ATOM 0 HA PRO A 81 -11.798 28.719 -13.061 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.406 29.050 -15.302 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.662 29.167 -15.427 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.453 26.832 -16.067 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.081 27.446 -16.968 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -11.868 25.264 -15.352 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.521 26.360 -15.594 1.00 0.00 H new ATOM 1212 N SER A 82 -14.386 26.769 -13.336 1.00 0.00 N ATOM 1213 CA SER A 82 -15.713 26.515 -12.786 1.00 0.00 C ATOM 1214 C SER A 82 -15.752 26.833 -11.295 1.00 0.00 C ATOM 1215 O SER A 82 -16.626 27.563 -10.827 1.00 0.00 O ATOM 1216 CB SER A 82 -16.114 25.057 -13.020 1.00 0.00 C ATOM 1217 OG SER A 82 -17.520 24.898 -12.954 1.00 0.00 O ATOM 0 H SER A 82 -14.030 26.027 -13.939 1.00 0.00 H new ATOM 0 HA SER A 82 -16.423 27.166 -13.297 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.753 24.729 -13.995 1.00 0.00 H new ATOM 0 HB3 SER A 82 -15.638 24.421 -12.274 1.00 0.00 H new ATOM 0 HG SER A 82 -17.751 23.958 -13.109 1.00 0.00 H new ATOM 1223 N SER A 83 -14.799 26.278 -10.552 1.00 0.00 N ATOM 1224 CA SER A 83 -14.726 26.498 -9.113 1.00 0.00 C ATOM 1225 C SER A 83 -16.104 26.363 -8.472 1.00 0.00 C ATOM 1226 O SER A 83 -16.468 27.136 -7.587 1.00 0.00 O ATOM 1227 CB SER A 83 -14.147 27.882 -8.816 1.00 0.00 C ATOM 1228 OG SER A 83 -14.924 28.901 -9.420 1.00 0.00 O ATOM 0 H SER A 83 -14.067 25.673 -10.924 1.00 0.00 H new ATOM 0 HA SER A 83 -14.070 25.738 -8.687 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.109 28.040 -7.738 1.00 0.00 H new ATOM 0 HB3 SER A 83 -13.122 27.937 -9.182 1.00 0.00 H new ATOM 0 HG SER A 83 -15.810 28.547 -9.644 1.00 0.00 H new ATOM 1234 N GLY A 84 -16.868 25.374 -8.927 1.00 0.00 N ATOM 1235 CA GLY A 84 -18.197 25.155 -8.388 1.00 0.00 C ATOM 1236 C GLY A 84 -18.194 25.000 -6.880 1.00 0.00 C ATOM 1237 O GLY A 84 -19.226 25.164 -6.230 1.00 0.00 O ATOM 0 H GLY A 84 -16.590 24.721 -9.659 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -18.839 25.992 -8.663 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.626 24.261 -8.841 1.00 0.00 H new TER 1241 GLY A 84